SCHEMBL6035751

SCHEMBL6035751

CCCC(C)c1nn(-c2ccc(C(F)(F)F)cn2)cc1CCC(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 2/20 0.43
MAPT P10636 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GCGR P47871 3/20 0.41
GCG P01275 3/20 0.38
GAA P10253 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
FPR2 P25090 1/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
TP53 P04637 1/20 0.35
TIPARP Q7Z3E1 1/20 0.35
APAF1 O14727 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6034508 0.94 SMN1; SMN2 (0.45) SMN1; SMN2HPGDPOLBMAPTNPC1
SCHEMBL6034597 0.92 SMN1; SMN2 (0.47) SMN1; SMN2HPGDPOLBMAPTNPC1
SCHEMBL6036242 0.89 SMN1; SMN2 (0.46) SMN1; SMN2HPGDPOLBMAPTNPC1
SCHEMBL6035563 0.85 SMN1; SMN2 (0.50) SMN1; SMN2HPGDPOLBMAPTNPC1
SCHEMBL6036282 0.85 SMN1; SMN2 (0.47) SMN1; SMN2HPGDPOLBMAPTNPC1
SCHEMBL6034641 0.84 SMN1; SMN2 (0.53) SMN1; SMN2HPGDPOLBMAPTNPC1
SCHEMBL6035148 0.84 GCGR (0.39) SMN1; SMN2HPGDPOLBMAPTNPC1
SCHEMBL6035785 0.83 GCGR (0.41) SMN1; SMN2HPGDPOLBMAPTNPC1
SCHEMBL6034778 0.83 SMN1; SMN2 (0.46) SMN1; SMN2HPGDPOLBMAPTNPC1
SCHEMBL6035076 0.79 GCGR (0.39) SMN1; SMN2HPGDPOLBGCGRGCG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 SMN1; SMN2 4408/4885HPGD 3297/4885POLB 4532/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.